(5'α,8Xi)-2'-Ethyl-12'-Hydroxy-5'-Methyl-3',6',18-Trioxo-5'-Phenylergotaman

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Properties Simple | Detailed

Formula C34H37N5O5
IUPAC Name (5'alpha,8xi)-2'-ethyl-12'-hydroxy-5'-methyl-3',6',18-trioxo-5'-phenylergotaman
Molecular Mass 595.688 g·mol−1
Heat of Formation -540.8 ± 16.7 kJ·mol−1
Dipole Moment 5.58 ± 1.08 D
Volume 687.52 Å 3
Surface Area 521.42 Å 2
HOMO Energy -8.36 ± 0.55 eV
LUMO Energy -0.46 ± eV
Point Group Symmetry C1
InChIKey QBIXIEJSLOJATM-VEZBTEOQSA-N
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